SCHEMBL7389941

SCHEMBL7389941

COC(=O)CCc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
GPR119 Q8TDV5 10/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
FPR2 P25090 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7484914 0.95 GPR119 (0.42) GPR119TP53KDM4EPKMALDH1A1
SCHEMBL7394243 0.86 GPR119 (0.41) GPR119TP53KDM4EPKMALDH1A1
SCHEMBL7355976 0.86 GPR119 (0.42) GPR119KDM4EPKMALDH1A1FAAH
SCHEMBL7385979 0.86 GPR119 (0.42) GPR119TP53
SCHEMBL7481273 0.86 GPR119 (0.41) GPR119TP53KDM4EPKMALDH1A1
SCHEMBL7391404 0.86 GPR119 (0.41) GPR119TP53KDM4EPKMALDH1A1
SCHEMBL7358096 0.85 HRH3 (0.41) GPR119TP53KDM4EPKMALDH1A1
SCHEMBL7389887 0.85 HRH3 (0.41) GPR119TP53KDM4EPKMALDH1A1
SCHEMBL7394018 0.85 GPR119 (0.41) GPR119TP53
Hydrochloric Acid SCHEMBL7390433 0.83 S1PR1 (0.45) S1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed